⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30699789 | 0.73 | — | — | |
| SCHEMBL15953759 | 0.71 | — | — | |
| SCHEMBL7521728 | 0.71 | — | — | |
| SCHEMBL9815821 | 0.68 | — | — | |
| SCHEMBL10441435 | 0.65 | — | — | |
| SCHEMBL28355197 | 0.63 | — | — | |
| SCHEMBL28568544 | 0.63 | — | — | |
| SCHEMBL9768411 | 0.63 | — | — | |
| Isopropyl Alcohol SCHEMBL7043658 | 0.63 | — | — | |
| SCHEMBL10445233 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 石家庄手性化学有限公司 | 2021-06-11 | — | — | CN | claimed |
| CN-113899833-B | Determination of 1, 3-dichloro-5- (1-trifluoromethyl-vinyl) benzene by gas chromatography | 丽珠集团新北江制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 石家庄手性化学有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 石家庄手性化学有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 石家庄手性化学有限公司 | 2021-06-11 | — | — | CN | disclosed |